#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 n ASP 2 N 0.00 -0.31 -4.55 -1.34 5.75 -1.26 -4.93 116.55 109.91 2b87 n ASP 2 Ca 0.00 -1.19 -0.39 0.00 -0.01 0.00 0.00 54.79 53.20 2b87 n ASP 2 Cb 0.00 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 2b87 n ASP 2 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2b87 s ASN 3 N -3.65 5.63 0.11 -1.12 0.01 -1.26 -4.87 114.94 109.79 2b87 s ASN 3 Ca 0.43 -0.00 -0.20 0.00 -0.71 0.00 0.00 52.86 52.37 2b87 s ASN 3 Cb -0.02 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.02 2b87 s ASN 3 CO 0.30 -2.17 1.73 0.50 -1.51 0.00 0.00 177.10 175.96 2b87 h LYS 4 N 12.93 0.24 -0.96 -0.60 3.64 -1.98 0.19 116.57 130.03 2b87 h LYS 4 Ca -0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2b87 h LYS 4 Cb 1.11 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 2b87 h LYS 4 CO 1.24 0.20 0.61 0.27 -2.27 0.00 0.00 179.45 179.51 2b87 h PHE 5 N 0.20 1.23 -0.32 1.91 -0.00 -1.98 0.44 116.94 118.43 2b87 h PHE 5 Ca 0.06 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 58.00 2b87 h PHE 5 Cb 0.03 -0.41 -0.01 0.00 -0.00 0.00 0.00 35.95 35.55 2b87 h PHE 5 CO -0.05 0.79 0.01 -0.97 -0.00 0.00 0.00 178.31 178.09 2b87 h ASN 6 N 1.31 0.54 -0.95 -0.68 -1.24 -1.88 1.12 115.58 113.80 2b87 h ASN 6 Ca 0.35 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2b87 h ASN 6 Cb -0.11 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 38.75 2b87 h ASN 6 CO -0.07 0.71 0.60 0.50 -1.29 0.00 0.00 177.43 177.88 2b87 h LYS 7 N 0.36 1.27 -0.32 6.67 3.64 -0.02 0.19 116.57 128.35 2b87 h LYS 7 Ca 0.09 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2b87 h LYS 7 Cb 0.43 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2b87 h LYS 7 CO 0.01 0.86 -0.45 0.93 -2.27 0.00 0.00 179.45 178.54 2b87 h GLU 8 N 1.29 0.84 -0.93 1.90 5.08 0.27 0.19 114.58 123.23 2b87 h GLU 8 Ca 0.34 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2b87 h GLU 8 Cb -0.10 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2b87 h GLU 8 CO -0.07 1.12 0.61 1.25 -1.00 0.00 0.00 179.01 180.92 2b87 h LEU 9 N 0.67 1.07 -0.32 1.33 5.85 0.22 1.07 115.31 125.21 2b87 h LEU 9 Ca 0.04 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 2b87 h LEU 9 Cb 1.04 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2b87 h LEU 9 CO 0.10 0.79 -0.75 1.23 -0.34 0.00 0.00 178.44 179.46 2b87 h GLY 10 N 1.26 0.58 0.54 3.75 0.00 -0.50 -2.61 103.07 106.09 2b87 h GLY 10 Ca 0.34 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2b87 h GLY 10 CO -0.07 0.74 -0.02 -0.25 0.00 0.00 0.00 176.54 176.94 2b87 h TRP 11 N 0.36 -0.05 -0.94 5.60 -0.00 0.64 0.26 115.95 121.82 2b87 h TRP 11 Ca -0.04 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.91 2b87 h TRP 11 Cb 1.35 0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.46 2b87 h TRP 11 CO 0.06 0.40 0.61 0.00 -0.00 0.00 0.00 178.44 179.51 2b87 h ALA 12 N 0.41 1.45 -0.41 2.65 0.00 0.10 0.95 119.26 124.42 2b87 h ALA 12 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2b87 h ALA 12 Cb 0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2b87 h ALA 12 CO 0.01 0.42 0.15 1.15 0.00 0.00 0.00 179.25 180.98 2b87 h THR 13 N 1.11 0.89 -0.17 0.00 2.02 -1.26 0.23 112.91 115.73 2b87 h THR 13 Ca 0.40 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.42 2b87 h THR 13 Cb 0.14 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2b87 h THR 13 CO -0.14 0.06 -0.06 -0.25 0.37 0.00 0.00 175.52 175.50 2b87 h TRP 14 N 0.32 0.39 -0.63 3.16 2.91 0.20 0.19 115.95 122.50 2b87 h TRP 14 Ca 0.19 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 2b87 h TRP 14 Cb 0.17 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 2b87 h TRP 14 CO -0.14 0.63 0.31 0.93 -1.03 0.00 0.00 178.44 179.13 2b87 h GLU 15 N 0.04 0.88 -0.28 2.65 5.08 0.11 0.96 114.58 124.01 2b87 h GLU 15 Ca 0.04 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2b87 h GLU 15 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2b87 h GLU 15 CO 0.02 0.68 -0.39 0.82 -1.00 0.00 0.00 179.01 179.14 2b87 h ILE 16 N 0.88 1.29 -0.54 3.13 2.04 -0.44 -1.68 117.51 122.18 2b87 h ILE 16 Ca 0.22 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 2b87 h ILE 16 Cb 0.08 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2b87 h ILE 16 CO -0.03 0.50 0.09 0.15 0.00 0.00 0.00 178.15 178.86 2b87 h PHE 17 N 0.55 0.90 -0.25 1.37 3.57 0.15 -2.74 116.94 120.49 2b87 h PHE 17 Ca 0.05 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2b87 h PHE 17 Cb 0.91 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2b87 h PHE 17 CO 0.04 0.78 0.00 0.09 -2.23 0.00 0.00 178.31 176.99 2b87 n ASN 18 N -4.24 1.96 -4.74 0.41 5.03 0.31 -4.93 115.26 109.05 2b87 n ASN 18 Ca 0.04 -1.82 -0.41 0.00 0.87 0.00 0.00 54.58 53.26 2b87 n ASN 18 Cb 0.26 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 38.83 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b87 s LEU 19 N -1.40 4.42 0.00 3.41 1.43 -0.66 -4.92 118.68 120.96 2b87 s LEU 19 Ca 0.31 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2b87 s LEU 19 Cb 0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2b87 s LEU 19 CO 0.24 -0.52 0.88 -2.65 0.23 0.00 0.00 176.35 174.53 2b87 n PRO 20 N 2.47 0.90 0.00 1.29 -0.02 -1.26 -4.05 135.00 134.32 2b87 n PRO 20 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2b87 n PRO 20 Cb 0.43 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b87 n ASN 21 N -0.47 0.00 -4.83 2.55 3.02 -1.26 -4.99 115.26 109.28 2b87 n ASN 21 Ca 0.00 -0.93 -0.33 0.00 -0.03 0.00 0.00 54.58 53.29 2b87 n ASN 21 Cb 0.01 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 22 N 0.00 3.99 0.38 3.41 1.43 -1.26 -4.75 118.68 121.88 2b87 s LEU 22 Ca 0.00 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2b87 s LEU 22 Cb 0.00 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 2b87 s LEU 22 CO 0.00 -0.31 0.56 0.54 0.23 0.00 0.00 176.35 177.37 2b87 s ASN 23 N -2.18 5.92 0.44 2.29 4.22 -1.26 -4.87 114.94 119.50 2b87 s ASN 23 Ca 0.59 0.05 0.25 0.00 -2.14 0.00 0.00 52.86 51.61 2b87 s ASN 23 Cb -0.10 -1.40 1.27 0.00 1.28 0.00 0.00 41.25 42.30 2b87 s ASN 23 CO 0.15 -0.54 1.76 1.23 -2.04 0.00 0.00 177.10 177.65 2b87 h GLY 24 N 0.67 0.89 0.32 0.45 0.00 -1.99 -0.89 103.07 102.52 2b87 h GLY 24 Ca -0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 2b87 h GLY 24 CO 0.55 -0.13 -0.04 -2.08 0.00 0.00 0.00 176.54 174.84 2b87 h VAL 25 N 0.25 1.57 -0.57 4.60 2.07 -1.97 -1.55 116.25 120.64 2b87 h VAL 25 Ca 0.62 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2b87 h VAL 25 Cb 1.86 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 34.31 2b87 h VAL 25 CO -0.23 0.45 0.33 1.56 0.02 0.00 0.00 177.57 179.70 2b87 h GLN 26 N -0.67 0.78 -0.37 1.57 4.20 -1.69 0.75 115.11 119.68 2b87 h GLN 26 Ca -0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2b87 h GLN 26 Cb 0.76 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2b87 h GLN 26 CO 0.01 0.58 0.20 0.28 -0.67 0.00 0.00 178.83 179.23 2b87 h VAL 27 N 0.77 1.15 -0.52 -0.54 2.07 -1.30 0.23 116.25 118.10 2b87 h VAL 27 Ca 0.20 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2b87 h VAL 27 Cb 0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2b87 h VAL 27 CO -0.04 0.15 0.30 0.50 0.02 0.00 0.00 177.57 178.51 2b87 h LYS 28 N 0.47 0.71 -0.22 1.57 3.64 -0.70 0.88 116.57 122.93 2b87 h LYS 28 Ca 0.13 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2b87 h LYS 28 Cb 0.07 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2b87 h LYS 28 CO -0.02 0.51 -0.30 0.00 -2.27 0.00 0.00 179.45 177.37 2b87 h ALA 29 N 1.61 0.33 -0.72 5.00 0.00 0.14 0.47 119.26 126.09 2b87 h ALA 29 Ca 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2b87 h ALA 29 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2b87 h ALA 29 CO -0.03 0.35 0.25 0.74 0.00 0.00 0.00 179.25 180.56 2b87 h PHE 30 N 0.27 1.12 -0.32 0.00 0.04 -0.12 0.49 116.94 118.42 2b87 h PHE 30 Ca 0.02 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 2b87 h PHE 30 Cb 0.88 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2b87 h PHE 30 CO 0.08 0.87 0.01 0.82 -0.60 0.00 0.00 178.31 179.50 2b87 h ILE 31 N 1.06 1.25 -0.88 -0.55 2.04 -0.66 0.23 117.51 120.00 2b87 h ILE 31 Ca 0.24 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2b87 h ILE 31 Cb 0.25 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2b87 h ILE 31 CO -0.01 0.30 0.57 -0.78 0.00 0.00 0.00 178.15 178.22 2b87 h ASP 32 N 0.37 0.94 -0.31 1.72 3.58 0.77 0.89 116.42 124.37 2b87 h ASP 32 Ca 0.09 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 2b87 h ASP 32 Cb 0.42 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2b87 h ASP 32 CO 0.01 0.64 -0.19 0.28 -2.88 0.00 0.00 179.24 177.10 2b87 h SER 33 N 1.10 0.79 0.17 2.28 0.02 0.24 -1.57 113.55 116.58 2b87 h SER 33 Ca 0.35 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2b87 h SER 33 Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2b87 h SER 33 CO -0.12 0.97 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.35 2b87 h LEU 34 N 0.69 -0.30 -0.49 5.07 3.38 0.83 0.80 115.31 125.29 2b87 h LEU 34 Ca 0.10 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2b87 h LEU 34 Cb 0.70 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2b87 h LEU 34 CO 0.05 -0.19 0.27 0.03 0.09 0.00 0.00 178.44 178.69 2b87 h ARG 35 N -0.29 0.52 -0.39 1.13 3.08 -0.76 0.11 114.38 117.78 2b87 h ARG 35 Ca -0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2b87 h ARG 35 Cb 0.25 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2b87 h ARG 35 CO 0.01 0.35 -0.04 0.22 -1.07 0.00 0.00 179.97 179.43 2b87 h ASP 36 N 0.54 0.62 -1.94 7.04 3.58 -0.94 -3.39 116.42 121.93 2b87 h ASP 36 Ca 0.21 -0.15 -0.31 0.00 0.42 0.00 0.00 57.03 57.20 2b87 h ASP 36 Cb 0.07 -0.16 -0.31 0.00 1.72 0.00 0.00 39.33 40.65 2b87 h ASP 36 CO -0.12 0.72 -0.63 -0.62 -2.88 0.00 0.00 179.24 175.71 2b87 s ASP 37 N -6.71 1.09 0.25 2.28 -1.08 0.27 -5.01 116.67 107.77 2b87 s ASP 37 Ca -0.08 -1.03 0.05 0.00 -0.52 0.00 0.00 52.55 50.96 2b87 s ASP 37 Cb 0.15 0.70 0.29 0.00 -1.46 0.00 0.00 42.92 42.60 2b87 s ASP 37 CO 0.79 -0.32 1.59 -0.65 0.52 0.00 0.00 175.17 177.10 2b87 h PRO 38 N 7.69 0.25 -0.05 4.34 0.11 -1.03 -2.67 132.00 140.64 2b87 h PRO 38 Ca -0.04 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2b87 h PRO 38 Cb 1.08 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2b87 h PRO 38 CO 0.26 0.74 -0.07 0.77 -0.21 0.00 0.00 178.00 179.48 2b87 h SER 39 N 0.19 0.07 0.12 -2.05 0.02 -1.92 0.13 113.55 110.11 2b87 h SER 39 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2b87 h SER 39 Cb 1.04 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2b87 h SER 39 CO 0.09 0.15 -0.03 1.67 -1.14 0.00 0.00 176.83 177.56 2b87 n GLN 40 N -4.41 1.08 -0.34 3.45 7.27 -1.02 -4.22 117.38 119.20 2b87 n GLN 40 Ca -0.02 -0.35 0.17 0.00 0.07 0.00 0.00 57.00 56.88 2b87 n GLN 40 Cb 0.17 -1.49 0.40 0.00 2.41 0.00 0.00 30.24 31.73 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2b87 h SER 41 N 0.85 0.64 -0.50 1.69 4.64 -0.60 0.37 113.55 120.64 2b87 h SER 41 Ca 0.00 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2b87 h SER 41 Cb 0.26 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2b87 h SER 41 CO 0.00 0.17 0.02 0.00 -0.87 0.00 0.00 176.83 176.14 2b87 h ALA 42 N 1.67 0.99 -0.25 5.18 0.00 -1.78 0.10 119.26 125.17 2b87 h ALA 42 Ca 0.60 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2b87 h ALA 42 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2b87 h ALA 42 CO -0.38 0.62 -0.33 -0.91 0.00 0.00 0.00 179.25 178.26 2b87 h ASN 43 N 0.86 0.55 -0.05 0.00 2.35 -0.65 0.31 115.58 118.95 2b87 h ASN 43 Ca 0.16 -0.21 -0.21 0.00 -0.55 0.00 0.00 56.30 55.49 2b87 h ASN 43 Cb 0.49 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.71 2b87 h ASN 43 CO 0.02 0.84 -0.75 -0.07 -1.65 0.00 0.00 177.43 175.82 2b87 h LEU 44 N 0.45 0.82 -0.93 1.61 3.38 -0.55 0.52 115.31 120.61 2b87 h LEU 44 Ca 0.05 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2b87 h LEU 44 Cb 0.79 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2b87 h LEU 44 CO 0.06 1.32 0.14 0.25 0.09 0.00 0.00 178.44 180.30 2b87 h LEU 45 N 0.48 0.86 -0.28 1.67 5.85 -0.57 0.63 115.31 123.94 2b87 h LEU 45 Ca -0.04 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2b87 h LEU 45 Cb 1.36 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2b87 h LEU 45 CO 0.15 0.84 0.04 0.00 -0.34 0.00 0.00 178.44 179.13 2b87 h ALA 46 N 1.27 0.38 -0.71 1.25 0.00 0.20 0.29 119.26 121.94 2b87 h ALA 46 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2b87 h ALA 46 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2b87 h ALA 46 CO 0.00 0.08 0.33 0.93 0.00 0.00 0.00 179.25 180.59 2b87 h GLU 47 N 0.29 1.01 -0.11 0.00 4.39 0.68 0.16 114.58 121.01 2b87 h GLU 47 Ca 0.09 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2b87 h GLU 47 Cb 0.36 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2b87 h GLU 47 CO 0.01 0.79 -0.01 0.00 -1.16 0.00 0.00 179.01 178.64 2b87 h ALA 48 N 1.36 0.14 -0.32 3.43 0.00 0.69 0.71 119.26 125.27 2b87 h ALA 48 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2b87 h ALA 48 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2b87 h ALA 48 CO -0.03 -0.15 0.21 0.87 0.00 0.00 0.00 179.25 180.15 2b87 h LYS 49 N -0.10 0.33 -0.18 0.00 1.57 0.03 1.40 116.57 119.63 2b87 h LYS 49 Ca 0.03 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 2b87 h LYS 49 Cb 0.38 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.62 2b87 h LYS 49 CO 0.01 0.22 -0.62 -0.22 -0.57 0.00 0.00 179.45 178.26 2b87 h LYS 50 N 0.34 0.74 -0.33 3.15 3.64 -0.03 0.30 116.57 124.39 2b87 h LYS 50 Ca 0.13 -0.56 -0.14 0.00 -1.27 0.00 0.00 60.65 58.81 2b87 h LYS 50 Cb 0.09 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2b87 h LYS 50 CO -0.03 1.17 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.91 2b87 h LEU 51 N 0.45 0.87 -0.27 5.20 -0.00 0.20 0.25 115.31 122.01 2b87 h LEU 51 Ca -0.03 -0.47 -0.03 0.00 -0.00 0.00 0.00 57.88 57.35 2b87 h LEU 51 Cb 1.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 2b87 h LEU 51 CO 0.13 1.17 0.06 -1.13 -0.00 0.00 0.00 178.44 178.67 2b87 h ASN 52 N 0.59 0.42 -0.81 -0.43 -1.24 0.18 0.34 115.58 114.63 2b87 h ASN 52 Ca 0.05 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.78 2b87 h ASN 52 Cb 0.93 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.83 2b87 h ASN 52 CO 0.08 0.55 0.37 0.44 -1.29 0.00 0.00 177.43 177.58 2b87 h ASP 53 N 0.27 1.09 -0.51 1.15 3.32 -0.29 0.78 116.42 122.23 2b87 h ASP 53 Ca 0.08 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2b87 h ASP 53 Cb 0.30 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2b87 h ASP 53 CO 0.00 0.94 0.02 0.00 -1.72 0.00 0.00 179.24 178.48 2b87 h ALA 54 N 1.22 1.00 -0.01 3.45 0.00 -0.14 -1.97 119.26 122.81 2b87 h ALA 54 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b87 h ALA 54 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b87 h ALA 54 CO -0.03 0.62 -0.11 1.04 0.00 0.00 0.00 179.25 180.77 2b87 n GLN 55 N -4.20 0.87 -2.07 0.00 6.02 0.12 -4.88 117.38 113.23 2b87 n GLN 55 Ca 0.03 -0.35 -0.28 0.00 -0.01 0.00 0.00 57.00 56.39 2b87 n GLN 55 Cb 0.31 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.13 2b87 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b87 s ALA 56 N -2.37 3.01 -0.05 -1.58 0.00 0.26 -4.91 121.76 116.13 2b87 s ALA 56 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2b87 s ALA 56 Cb 0.20 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.52 2b87 s ALA 56 CO 0.45 -1.12 1.49 -2.30 0.00 0.00 0.00 175.76 174.28 2b87 n PRO 57 N -2.91 1.12 0.00 0.00 -0.02 -1.26 -4.98 135.00 126.95 2b87 n PRO 57 Ca 0.06 -0.27 0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2b87 n PRO 57 Cb 0.58 -1.10 0.61 0.00 -0.02 0.00 0.00 33.50 33.57 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11